Mathematical models and methods for ab initio quantum chemistry
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Publication:5952472
zbMath0979.00023MaRDI QIDQ5952472
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Publication date: 13 January 2002
Published in: Lecture Notes in Chemistry (Search for Journal in Brave)
Collections of articles of miscellaneous specific interest (00B15) Proceedings, conferences, collections, etc. pertaining to quantum theory (81-06) Proceedings, conferences, collections, etc. pertaining to statistical mechanics (82-06) Proceedings, conferences, collections, etc. pertaining to relativity and gravitational theory (83-06)
Related Items (22)
Controllability of a quantum particle in a moving potential well ⋮ Building Kohn-Sham potentials for ground and excited states ⋮ Hartree-Fock type systems: existence of ground states and asymptotic behavior ⋮ Local controllability of 1D linear and nonlinear Schrödinger equations with bilinear control ⋮ Local Exact Controllability of a One-Dimensional Nonlinear Schrödinger Equation ⋮ Local controllability and non-controllability for a 1D wave equation with bilinear control ⋮ Quantum controllability on graph-like manifolds through magnetic potentials and boundary conditions ⋮ LOCAL EXACT CONTROLLABILITY OF SCHRÖDINGER EQUATION WITH STURM-LIOUVILLE BOUNDARY VALUE PROBLEMS ⋮ Universal families and quantum control in infinite dimensions ⋮ Local exact controllability of the \(2D\)-Schrödinger-Poisson system ⋮ Controllability of a 2D quantum particle in a time-varying disc with radial data ⋮ A numerical Maxwell-Schrödinger model for intense laser-matter interaction and propagation ⋮ Wavelets for density matrix computation in electronic structure calculation ⋮ Converging self-consistent field equations in quantum chemistry – recent achievements and remaining challenges ⋮ Regular propagators of bilinear quantum systems ⋮ Controllability of the discrete-spectrum Schrödinger equation driven by an external field ⋮ On a sharper bound on the stability of non-autonomous Schrödinger equations and applications to quantum control ⋮ From atoms to crystals: a mathematical journey ⋮ Spectral controllability for 2D and 3D linear Schrödinger equations ⋮ A Topological Obstruction to the Controllability of Nonlinear Wave Equations with Bilinear Control Term ⋮ Local controllability of a 1-D Schrödinger equation ⋮ Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
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